|
Multiconfiguration basis-set methods provide a way to accurately describe quantum dynamical processes in systems with many degrees of freedom or in a condensed phase environment. In this talk, the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method [1] is discussed. The ML-MCTDH method is a variational basis-set approach that extends the original MCTDH method [2] to significantly larger systems. The performance of the method is illustrated by several applications, including the spin-boson model and extensions of this model with anharmonic potentials [3], photoinduced electron transfer processes at dye-semiconductor interfaces [4,5], as well as a model for electron transport
through single molecule junctions.
[1] H. Wang and M. Thoss, J. Chem. Phys. 119, 1289 (2003); 124, 034114 (2006). [2] H.-D. Meyer, U. Manthe, and L.S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990). [3] H. Wang and M. Thoss, J. Phys. Chem. A 111, 10369 (2007). [4] M. Thoss, I. Kondov, and H. Wang, Phys. Rev. B 76, 153313 (2007). [5] I. Kondov, M. Cizek, C. Benesch, H. Wang, and M. Thoss, J. Phys. Chem. C 111, 11970 (2007) |
|